N'-(4-methylphenyl)-N-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(allylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N'-(4-methylphenyl)-N-[2-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N-[2-[4-(allylthiocarbamoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=S)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=S)NCC=C

InChI

InChI=1S/C19H27N5O2S/c1-3-8-21-19(27)24-13-11-23(12-14-24)10-9-20-17(25)18(26)22-16-6-4-15(2)5-7-16/h3-7H,1,8-14H2,2H3,(H,20,25)(H,21,27)(H,22,26)/p+1